[2-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate

C25H30N2O4 — CID 7659144

IUPAC[2-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
SMILESCc1cc(C(=O)COC(=O)CCCc2c[nH]c3ccccc23)c(C)n1C[C@H]1CCCO1
InChIInChI=1S/C25H30N2O4/c1-17-13-22(18(2)27(17)15-20-8-6-12-30-20)24(28)16-31-25(29)11-5-7-19-14-26-23-10-4-3-9-21(19)23/h3-4,9-10,13-14,20,26H,5-8,11-12,15-16H2,1-2H3/t20-/m1/s1
InChIKeyYHNWWVQAZBTIRO-HXUWFJFHSA-N
MW422.53 g/mol
LogP4.51
Rot. Bonds9

About [2-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate

[2-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate (PubChem CID 7659144) has the molecular formula C25H30N2O4 and a molecular weight of 422.53 g/mol. Its IUPAC name is [2-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate.

Molecular Properties

Compound Name[2-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
PubChem CID7659144
Molecular FormulaC25H30N2O4
Molecular Weight422.53 g/mol
Exact Mass422.22
IUPAC Name[2-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
SMILESCc1cc(C(=O)COC(=O)CCCc2c[nH]c3ccccc23)c(C)n1C[C@H]1CCCO1
InChIInChI=1S/C25H30N2O4/c1-17-13-22(18(2)27(17)15-20-8-6-12-30-20)24(28)16-31-25(29)11-5-7-19-14-26-23-10-4-3-9-21(19)23/h3-4,9-10,13-14,20,26H,5-8,11-12,15-16H2,1-2H3/t20-/m1/s1
InChIKeyYHNWWVQAZBTIRO-HXUWFJFHSA-N
XLogP4.51
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 7659142
[2-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl] 4-(1,3-benzothiazol-2-yl)butanoate
CID 31207749
[2-[2,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)butanoate
CID 40951088
[2-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl] naphthalene-1-carboxylate
CID 2659525
[2-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 4001325
[2-[2,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl] 2,2-diphenylacetate
CID 2092425
[2-[2,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 2593762
1-[2,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 136772430
[2-[2,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl] 2-methoxybenzoate
CID 2653723
[2-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl] 2,6-dimethoxybenzoate
CID 2659415
[2-[2,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 7803740
[2-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl] 2,4-dihydroxybenzoate
CID 2647205

Frequently Asked Questions

What is the IUPAC name of [2-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate?
The IUPAC name of [2-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate (CID 7659144) is [2-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate.
What is the SMILES notation for [2-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate?
The canonical SMILES for [2-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate is Cc1cc(C(=O)COC(=O)CCCc2c[nH]c3ccccc23)c(C)n1C[C@H]1CCCO1.
What is the InChIKey of [2-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate?
The InChIKey is YHNWWVQAZBTIRO-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H30N2O4/c1-17-13-22(18(2)27(17)15-20-8-6-12-30-20)24(28)16-31-25(29)11-5-7-19-14-26-23-10-4-3-9-21(19)23/h3-4,9-10,13-14,20,26H,5-8,11-12,15-16H2,1-2H3/t20-/m1/s1.
What are the key properties of [2-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate?
[2-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate has a molecular weight of 422.53 g/mol, XLogP of 4.51, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate is sourced from PubChem (CID 7659144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).